CID 6369726

1,4-diphenyl-2-methyl-1,3-butadiene

Structural Information

Molecular Formula
C17H16
SMILES
C/C(=C\C1=CC=CC=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H16/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h2-14H,1H3/b13-12+,15-14+
InChIKey
MCXUZXVIQZNGSA-SQIWNDBBSA-N
Compound name
[(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

220.1252 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13248 151.7
[M+Na]+ 243.11442 157.6
[M-H]- 219.11792 157.7
[M+NH4]+ 238.15902 169.6
[M+K]+ 259.08836 152.2
[M+H-H2O]+ 203.12246 144.3
[M+HCOO]- 265.12340 174.5
[M+CH3COO]- 279.13905 189.1
[M+Na-2H]- 241.09987 157.0
[M]+ 220.12465 149.6
[M]- 220.12575 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe